SCHEMBL6499760

SCHEMBL6499760

CSc1ccccc1-c1cccc(-n2cc(NC(N)=O)c(C(N)=O)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.48
ITK Q08881 1/20 0.44
IRAK4 Q9NWZ3 6/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KCNH2 Q12809 1/20 0.36
PTPN1 P18031 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
PARP1 P09874 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6502841 0.87 SCN9A (0.53) SCN9AITKIRAK4LMNASMN1; SMN2
SCHEMBL6497385 0.85 ITK (0.46) SCN9AITKIRAK4LMNASMN1; SMN2
SCHEMBL6502010 0.85 SCN9A (0.51) SCN9AITKIRAK4LMNASMN1; SMN2
SCHEMBL6499349 0.84 SCN9A (0.51) SCN9AITKIRAK4LMNASMN1; SMN2
SCHEMBL6502813 0.84 ITK (0.45) SCN9AITKIRAK4LMNASMN1; SMN2
SCHEMBL6507806 0.83 SCN9A (0.57) SCN9AITKIRAK4MAPTSCN10A
SCHEMBL6470433 0.82 SCN9A (0.48) SCN9AITKIRAK4LMNASMN1; SMN2
SCHEMBL6505904 0.81 ITK (0.48) SCN9AITKIRAK4LMNASMN1; SMN2
SCHEMBL6528133 0.81 SCN9A (0.56) SCN9AITKSCN10A
SCHEMBL6502100 0.80 SCN9A (0.45) SCN9AITKIRAK4LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 SCN9A 4159/4885ITK 4236/4885IRAK4 27/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.